ChemicalBook--->CAS DataBase List--->226410-00-0

226410-00-0

226410-00-0 Structure

226410-00-0 Structure
IdentificationBack Directory
[Name]

Methyl 3-chloro-1H-pyrrole-2-carboxylate
[CAS]

226410-00-0
[Synonyms]

Methyl 3-chloro-1H-pyrrol...
Methyl 3-Chloropyrrole-2-carboxylate
Methyl 3-chloro-1H-pyrrole-2-carboxylate
1H-Pyrrole-2-carboxylic acid, 3-chloro-, methyl ester
[Molecular Formula]

C6H6ClNO2
[MDL Number]

MFCD20661619
[MOL File]

226410-00-0.mol
[Molecular Weight]

159.57
Chemical PropertiesBack Directory
[Boiling point ]

270.6±20.0 °C(Predicted)
[density ]

1.356±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

13.58±0.50(Predicted)
[Appearance]

Light yellow to brown Solid
[InChI]

InChI=1S/C6H6ClNO2/c1-10-6(9)5-4(7)2-3-8-5/h2-3,8H,1H3
[InChIKey]

YFKTWBUEAJFGRQ-UHFFFAOYSA-N
[SMILES]

N1C=CC(Cl)=C1C(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-chloro-1H-pyrrole-2-carboxylate(226410-00-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Methyl-1-pyrroline

872-32-2

Methyl 3-chloro-1H-pyrrole-2-carboxylate

226410-00-0

General procedure for the synthesis of methyl 3-chloropyrrole-2-carboxylate from 2-methylpyrroline: 5-methyl-3,4-dihydro-2H-pyrrole (1.00 g, 12.0 mmol) was dissolved in carbon tetrachloride. To this solution was added N-chlorosuccinimide (NCS, 12.85 g, 96 mmol) and the reaction mixture was heated to 85 °C and stirred overnight. After completion of the reaction, the mixture was cooled to 0 °C, the precipitate was collected by filtration and the solvent was removed by evaporation. The residue was dissolved in methanol and sodium methanolate (3.90 g, 72.2 mmol) was added. The resulting suspension was heated to reflux and stirred for 3 hours. Upon completion of the reaction, the methanol was removed by evaporation and the residue was suspended in ether. The solids were removed by filtration and the ether was removed by evaporation. The residue was dissolved in dichloromethane and 2M hydrochloric acid was added. The two-phase solution was stirred until the ingredients were completely consumed. The organic and aqueous phases were separated, the organic phase was dried with anhydrous magnesium sulfate and concentrated by evaporation to give an orange oil. The crude product was purified by silica gel column chromatography using 40 g silica gel with ethyl acetate and hexane as eluents to afford methyl 3-chloropyrrole-2-carboxylate as an orange solid (0.2958 g, 1.854 mmol, 15.41% yield).1H NMR (400 MHz, CDCl3): δ 9.54 (br.s., 1H), 6.80 (s, 1H) , 6.17 (s, 1H), 3.83 (s, 3H).MS: m/z 160.0 (M + 1).

[References]

[1] Patent: WO2008/154271, 2008, A1. Location in patent: Page/Page column 143
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 22, p. 7967 - 7978
[3] Patent: EP2612848, 2013, A1
[4] Patent: US2013/267521, 2013, A1
[5] Patent: WO2014/15675, 2014, A1
226410-00-0 suppliers list
Company Name: Changzhou Ucheml Medicine Co., Ltd.  Gold
Telephone: 0519-86058959 13775231161
Website: www.uchemi.cn
Company Name: Suzhou Wenzhi Biotechnology Co., Ltd.  Gold
Telephone: 13262848185
Website: https://www.chemicalbook.com/ShowSupplierProductsList31086/0_EN.htm
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Dtchem Laboratories,(Gan Su)Co.,Ltd.  
Telephone: 18993961550 18993966060
Website: www.gsdtchem.com/
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Bsisun HK Imoprt And Export Company Limited  
Telephone: +86-18068513926
Website: www.chemicalbook.com/ShowSupplierProductsList15511/0_EN.htm
Company Name: EnliPharma Technology Co., Ltd  
Telephone: 0551-66399836 18955197623
Website: http://www.enlipharma.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Finetech Industry Limited  
Telephone: 027-87465837 19945049750
Website: https://www.finetechchem.com/
Company Name: Shanghai HuanChuan Industry Co.,Ltd.  
Telephone: 021-61478794
Website: www.hcshhai.com
Company Name: Nanjing Chalf-Pharm Technology Co., Ltd.  
Telephone: 025-57018978 18251899859
Website: http://www.chalf-pharm.com
Company Name: Cool Pharm, Ltd  
Telephone: 021-60455363 18019463053
Website: www.coolpharm.com
Company Name: Shanghai QianYan Bio-technology Co., Ltd  
Telephone: 02781293128
Website: www.chemicalbook.com/ShowSupplierProductsList19348/0_EN.htm
Company Name: Beijing Hechemist Technology CO.,LTD  
Telephone: 18511709189;
Website: http://www.hechemist.com
Company Name: Zhengzhou Acme Chemical Co., Ltd.  
Telephone: 0371-0371-55629727 13323845623
Website: http://www.acmechem.cn
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Tags:226410-00-0 Related Product Information